2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine

C24H18N6O — CID 16911174

IUPAC2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine
SMILESc1ccc(Nc2nc(Nc3ccc(Oc4ccccc4)cc3)nc3nccnc23)cc1
InChIInChI=1S/C24H18N6O/c1-3-7-17(8-4-1)27-23-21-22(26-16-15-25-21)29-24(30-23)28-18-11-13-20(14-12-18)31-19-9-5-2-6-10-19/h1-16H,(H2,26,27,28,29,30)
InChIKeyVYFYKVPKFWRZDT-UHFFFAOYSA-N
MW406.45 g/mol
LogP5.70
Rot. Bonds6

About 2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine

2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine (PubChem CID 16911174) has the molecular formula C24H18N6O and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine
PubChem CID16911174
Molecular FormulaC24H18N6O
Molecular Weight406.45 g/mol
Exact Mass406.15
IUPAC Name2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine
SMILESc1ccc(Nc2nc(Nc3ccc(Oc4ccccc4)cc3)nc3nccnc23)cc1
InChIInChI=1S/C24H18N6O/c1-3-7-17(8-4-1)27-23-21-22(26-16-15-25-21)29-24(30-23)28-18-11-13-20(14-12-18)31-19-9-5-2-6-10-19/h1-16H,(H2,26,27,28,29,30)
InChIKeyVYFYKVPKFWRZDT-UHFFFAOYSA-N
XLogP5.70
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-benzyl-4-N-phenylpteridine-2,4-diamine
CID 16911184
2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
CID 16910827
2-N-(4-aminophenyl)-4-N-phenylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 177147618
4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16911015
2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 15629175
4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine
CID 102176522
2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 59174493
4-N-(4-chloro-2-methylphenyl)-2-N-(3-methoxyphenyl)pteridine-2,4-diamine
CID 16911086
2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine
CID 16910617
2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16910766
4-N-(4-chlorophenyl)-2-N-cyclohexylpteridine-2,4-diamine
CID 16910684
4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine
CID 59682688

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine?
The IUPAC name of 2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine (CID 16911174) is 2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine.
What is the SMILES notation for 2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine?
The canonical SMILES for 2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine is c1ccc(Nc2nc(Nc3ccc(Oc4ccccc4)cc3)nc3nccnc23)cc1.
What is the InChIKey of 2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine?
The InChIKey is VYFYKVPKFWRZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O/c1-3-7-17(8-4-1)27-23-21-22(26-16-15-25-21)29-24(30-23)28-18-11-13-20(14-12-18)31-19-9-5-2-6-10-19/h1-16H,(H2,26,27,28,29,30).
What are the key properties of 2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine?
2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine has a molecular weight of 406.45 g/mol, XLogP of 5.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine is sourced from PubChem (CID 16911174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).